(E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol

C30H28O4 — CID 11775336

IUPAC(E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol
SMILESOC/C=C/c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C30H28O4/c31-18-10-17-27-19-28(32-21-24-11-4-1-5-12-24)30(34-23-26-15-8-3-9-16-26)29(20-27)33-22-25-13-6-2-7-14-25/h1-17,19-20,31H,18,21-23H2/b17-10+
InChIKeyUDEKJVIAGVARMK-LICLKQGHSA-N
MW452.55 g/mol
LogP6.43
Rot. Bonds11

About (E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol

(E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol (PubChem CID 11775336) has the molecular formula C30H28O4 and a molecular weight of 452.55 g/mol. Its IUPAC name is (E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol
PubChem CID11775336
Molecular FormulaC30H28O4
Molecular Weight452.55 g/mol
Exact Mass452.20
IUPAC Name(E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol
SMILESOC/C=C/c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C30H28O4/c31-18-10-17-27-19-28(32-21-24-11-4-1-5-12-24)30(34-23-26-15-8-3-9-16-26)29(20-27)33-22-25-13-6-2-7-14-25/h1-17,19-20,31H,18,21-23H2/b17-10+
InChIKeyUDEKJVIAGVARMK-LICLKQGHSA-N
XLogP6.43
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one
CID 175537344
3-(4-ethyl-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 69057883
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
(E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)prop-2-enal
CID 11781494
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
(E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117422190
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol
CID 73182651
4-phenylmethoxynaphthalene-2-carbaldehyde
CID 71757507
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol (CID 11775336) is (E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol is OC/C=C/c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of (E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol?
The InChIKey is UDEKJVIAGVARMK-LICLKQGHSA-N. The full InChI is InChI=1S/C30H28O4/c31-18-10-17-27-19-28(32-21-24-11-4-1-5-12-24)30(34-23-26-15-8-3-9-16-26)29(20-27)33-22-25-13-6-2-7-14-25/h1-17,19-20,31H,18,21-23H2/b17-10+.
What are the key properties of (E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol?
(E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol has a molecular weight of 452.55 g/mol, XLogP of 6.43, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 11775336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).